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(1S,2R,4R)-1-(Hydroxydiphenylmethyl)-7,7-dimethylbicyclo[2.2.1]hept-2-yl (E)-3-(pyrrolidin-1-yl)pent-2-enoate
SpectraBase Compound ID 4hrxW89PHWX
InChI InChI=1S/C31H39NO3/c1-4-26(32-19-11-12-20-32)22-28(33)35-27-21-25-17-18-30(27,29(25,2)3)31(34,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,22,25,27,34H,4,11-12,17-21H2,1-3H3/b26-22+/t25-,27-,30-/m1/s1
InChIKey VLLDCAXBPJVICK-SLYBOJRVSA-N
Mol Weight 473.7 g/mol
Molecular Formula C31H39NO3
Exact Mass 473.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjB6AT5xzqW
Name (1S,2R,4R)-1-(Hydroxydiphenylmethyl)-7,7-dimethylbicyclo[2.2.1]hept-2-yl (E)-3-(pyrrolidin-1-yl)pent-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H39NO3
InChI InChI=1S/C31H39NO3/c1-4-26(32-19-11-12-20-32)22-28(33)35-27-21-25-17-18-30(27,29(25,2)3)31(34,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,22,25,27,34H,4,11-12,17-21H2,1-3H3/b26-22+/t25-,27-,30-/m1/s1
InChIKey VLLDCAXBPJVICK-SLYBOJRVSA-N
Molecular Weight 473.657 g/mol
SMILES OC([C@@]12C([C@](CC2)(C[C@]1(OC(\C=C/(N1CCCC1)CC)=O)[H])[H])(C)C)(c1ccccc1)c1ccccc1
SPLASH splash10-0udi-1900100000-440c90534f01f7f1341b
Source of Spectrum F-67-933-4n
Synonyms (E)-3-(1-pyrrolidinyl)-2-pentenoic acid [(1R,3R,4S)-4-[hydroxy(diphenyl)methyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] ester [(1R,3R,4S)-4-[hydroxy(diphenyl)methyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanyl] (E)-3-pyrrolidin-1-ylpent-2-enoate [(1S,2R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethyl-norbornan-2-yl] (E)-3-pyrrolidin-1-ylpent-2-enoate [(1R,3R,4S)-7,7-dimethyl-4-[oxidanyl(diphenyl)methyl]-3-bicyclo[2.2.1]heptanyl] (E)-3-pyrrolidin-1-ylpent-2-enoate
Wiley ID 1685580